(2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane

C13H24O — CID 25421543

IUPAC(2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@H]1CC[C@H](C)O[C@@H]1CC(C)C
InChIInChI=1S/C13H24O/c1-9(2)8-13-12(10(3)4)7-6-11(5)14-13/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12+,13+/m0/s1
InChIKeyREJQPVBZMKPAAI-YNEHKIRRSA-N
MW196.33 g/mol
LogP3.79
Rot. Bonds3

About (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane

(2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane (PubChem CID 25421543) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane
PubChem CID25421543
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@H]1CC[C@H](C)O[C@@H]1CC(C)C
InChIInChI=1S/C13H24O/c1-9(2)8-13-12(10(3)4)7-6-11(5)14-13/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12+,13+/m0/s1
InChIKeyREJQPVBZMKPAAI-YNEHKIRRSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[(2R,3R,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidin-1-ium
CID 7335972
ethyl (2R,3S,5S,6S)-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane-3-carboxylate
CID 57338512
(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
CID 53310182
(3S,4R,6R)-3,4,6-trimethyl-2-(2-methylpropyl)oxane
CID 153093086
furan-2-ylmethyl-[[(2R,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]azanium
CID 6955169
6-(2-methylpropyl)oxane-2,4,5-triol
CID 20758150
1-[(2R,3S,6S)-3-hydroxy-6-methyloxan-2-yl]propan-2-one
CID 11008386
(2R,3S,6R)-2-(4-fluorophenyl)-6-methyl-3-prop-1-en-2-yloxane
CID 101459506
[(1S,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methanol
CID 129321353
(2-methyl-5-prop-1-en-2-ylcyclopentyl)methanol
CID 12634580
5-methyl-2-[2-[5-methyl-2-(2-methylpropyl)oxolan-3-yl]ethyl]-3-propan-2-yloxolane
CID 20766407
(2S)-2,5-dimethyloxolane
CID 118613003

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane?
The IUPAC name of (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane (CID 25421543) is (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane.
What is the SMILES notation for (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane?
The canonical SMILES for (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane is C=C(C)[C@H]1CC[C@H](C)O[C@@H]1CC(C)C.
What is the InChIKey of (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane?
The InChIKey is REJQPVBZMKPAAI-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)8-13-12(10(3)4)7-6-11(5)14-13/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12+,13+/m0/s1.
What are the key properties of (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane?
(2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane has a molecular weight of 196.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane is sourced from PubChem (CID 25421543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).